HMDB0112989 RDKit 3D PE-NMe(14:0/20:5(5Z,8Z,11Z,14Z,17Z)) 120119 0 0 0 0 0 0 0 0999 V2000 -13.4784 -4.1523 -3.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3905 -4.3027 -1.6775 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4632 -2.9831 -1.0586 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4922 -2.4956 -0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2488 -3.2750 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1455 -2.4411 -0.6300 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1267 -2.0018 0.0255 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9892 -2.3437 1.4989 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9561 -1.0685 2.2223 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9962 -0.6618 2.9949 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7568 -1.2934 3.3619 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3643 -2.6194 2.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3470 -2.9516 2.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3708 -1.9949 1.5975 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4253 -2.1018 0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6465 -1.1820 -0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9006 0.2469 -0.6684 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7546 1.0441 0.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3074 1.1730 1.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4937 1.8925 -0.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0073 2.5055 -1.0072 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1091 1.8823 0.0237 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2598 2.5260 -0.9396 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3874 1.5101 -1.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1043 0.5740 -1.1042 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 0.7413 -0.4313 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 1.8385 -0.4117 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9350 -0.3646 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3468 -0.0433 0.7091 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9870 -1.1321 1.5059 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0056 -2.4761 0.8707 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6890 -2.6093 -0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1320 -2.2468 -0.3786 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8556 -3.1048 0.5910 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3512 -2.7744 0.6252 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0111 -3.0055 -0.6922 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4629 -2.7487 -0.6940 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0212 -1.4142 -0.4855 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7729 -0.6494 0.7490 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1717 -1.3347 2.0221 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5355 3.6422 -0.4057 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3346 4.2558 -1.3510 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1359 5.5213 -0.5194 P 0 0 0 0 0 5 0 0 0 0 0 0 3.2170 4.9873 0.3903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0224 6.3689 0.4449 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8298 6.6178 -1.5797 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1934 6.6913 -1.4071 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 7.6836 -2.3533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2766 9.0153 -2.1096 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7138 9.4765 -0.7984 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4824 -3.9108 -3.6146 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1923 -3.3356 -3.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8493 -5.1133 -3.5842 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6824 -5.0262 -1.3299 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.4114 -4.7946 -1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3943 -2.4020 -1.2336 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.5386 -1.5107 0.1354 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2391 -3.5397 0.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1897 -4.2150 -0.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2214 -2.1825 -1.6923 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3681 -1.3949 -0.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0865 -2.9438 1.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8480 -2.9685 1.7767 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8468 -0.3897 2.0887 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1747 0.3639 3.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7855 -1.3492 4.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9382 -0.5145 3.1953 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9674 -3.4731 3.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1500 -4.0189 1.9868 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3503 -2.3709 1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5168 -1.0503 2.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2450 -3.1434 -0.2406 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6366 -1.6214 -1.8184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2282 0.7028 -1.4862 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9329 0.4757 -1.1626 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9961 2.1431 0.2343 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4684 0.8979 1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3489 1.9252 1.8496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8085 0.2844 1.3327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0422 3.0175 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1385 2.0139 -2.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3380 1.0631 -2.5401 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8891 -1.2882 -0.2840 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2857 -0.5345 1.2230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3151 0.8576 1.3896 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9188 0.2711 -0.1783 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4065 -1.2302 2.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0162 -0.7919 1.7654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9602 -2.9276 0.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5254 -3.1628 1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1673 -2.0957 -1.2716 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6234 -3.7038 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5347 -2.3529 -1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2365 -1.1662 -0.1434 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5075 -2.8995 1.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6670 -4.1722 0.4177 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4934 -1.7860 1.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7546 -3.4968 1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8815 -4.1034 -0.9760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4824 -2.4477 -1.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8757 -3.1075 -1.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9100 -3.5187 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6407 -0.7526 -1.3391 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1416 -1.3934 -0.6926 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8349 -0.1123 0.7445 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5394 0.2368 0.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2447 -1.4550 2.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8807 -0.7626 2.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6286 -2.3326 1.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0274 3.4763 0.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2314 4.4594 -0.1355 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2428 6.6175 -0.1342 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6714 5.7023 -1.4929 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3564 7.0563 -0.3542 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6381 7.4004 -3.4033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9201 7.7379 -2.1981 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2229 8.9027 -2.1280 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6483 10.5957 -0.7589 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0582 9.0566 -0.0310 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7738 9.1831 -0.6131 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 1 0 12 13 2 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 23 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 1 51 1 0 1 52 1 0 1 53 1 0 2 54 1 0 2 55 1 0 3 56 1 0 4 57 1 0 5 58 1 0 5 59 1 0 6 60 1 0 7 61 1 0 8 62 1 0 8 63 1 0 9 64 1 0 10 65 1 0 11 66 1 0 11 67 1 0 12 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 0 18 77 1 0 19 78 1 0 19 79 1 0 23 80 1 0 24 81 1 0 24 82 1 0 28 83 1 0 28 84 1 0 29 85 1 0 29 86 1 0 30 87 1 0 30 88 1 0 31 89 1 0 31 90 1 0 32 91 1 0 32 92 1 0 33 93 1 0 33 94 1 0 34 95 1 0 34 96 1 0 35 97 1 0 35 98 1 0 36 99 1 0 36100 1 0 37101 1 0 37102 1 0 38103 1 0 38104 1 0 39105 1 0 39106 1 0 40107 1 0 40108 1 0 40109 1 0 41110 1 0 41111 1 0 45112 1 0 47113 1 0 47114 1 0 48115 1 0 48116 1 0 49117 1 0 50118 1 0 50119 1 0 50120 1 0 M END